SCHEMBL7899416

SCHEMBL7899416

[C-]#[N+]c1c(NN)nc(-c2ccc(OC)c(S(N)(=O)=O)c2)nc1SC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA12 O43570 5/20 0.40
ENPP3 O14638 1/20 0.39
CA4 P22748 1/20 0.39
PKM P14618 2/20 0.38
CA1 P00915 2/20 0.38
BRD4 O60885 2/20 0.36
ABCG2 Q9UNQ0 3/20 0.34
ABCB1 P08183 2/20 0.34
ABCC1 P33527 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7898409 0.88 CA12 (0.40) CA2CA9CA12ENPP3CA4
SCHEMBL4748211 0.82 NPSR1 (0.41) CA2CA9CA12ENPP3CA4
SCHEMBL7898133 0.79 CA9 (0.40) CA2CA9CA12ENPP3CA4
SCHEMBL7900089 0.79 CA2 (0.46) CA2CA9CA12CA4CA1
SCHEMBL7903597 0.75 ALDH1A1 (0.45) CA2CA9CA12CA1MEN1
SCHEMBL4748833 0.72 CA12 (0.40) CA2CA9CA12ENPP3CA4
SCHEMBL7892625 0.69 BRD4 (0.49) PKMBRD4MEN1KMT2AALDH1A1
SCHEMBL4788376 0.68 FLT3 (0.40) CA2CA9CA12BRD4ALDH1A1
SCHEMBL7892682 0.67 SYK (0.44) CA2CA9CA12CA1MEN1
SCHEMBL4748170 0.66 CA2 (0.46) CA2CA9CA12CA1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S CA2 2732/4885CA9 3052/4885CA12 3795/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.